N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine

C9H17FN2 — CID 126716823

IUPACN-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine
SMILESCN1CC(NC2CC2)C(C)(F)C1
InChIInChI=1S/C9H17FN2/c1-9(10)6-12(2)5-8(9)11-7-3-4-7/h7-8,11H,3-6H2,1-2H3
InChIKeyLSZGTDPROSLDRB-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.78
Rot. Bonds2

About N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine

N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine (PubChem CID 126716823) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine
PubChem CID126716823
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC NameN-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine
SMILESCN1CC(NC2CC2)C(C)(F)C1
InChIInChI=1S/C9H17FN2/c1-9(10)6-12(2)5-8(9)11-7-3-4-7/h7-8,11H,3-6H2,1-2H3
InChIKeyLSZGTDPROSLDRB-UHFFFAOYSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine (CID 126716823) is N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine is CN1CC(NC2CC2)C(C)(F)C1.
What is the InChIKey of N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine?
The InChIKey is LSZGTDPROSLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-9(10)6-12(2)5-8(9)11-7-3-4-7/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine?
N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine has a molecular weight of 172.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-1,4-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 126716823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).